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	hartrees
Energy at 0K	-1032.006568
Energy at 298.15K	-1032.008891
HF Energy	-1032.006568
Nuclear repulsion energy	537.215095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1336	1322	76.23
2	A'	1229	1216	296.70
3	A'	1129	1118	184.48
4	A'	962	952	278.16
5	A'	757	749	42.18
6	A'	643	636	15.31
7	A'	545	540	7.71
8	A'	432	427	0.15
9	A'	355	351	0.03
10	A'	306	303	1.54
11	A'	174	173	1.65
12	A"	1246	1234	394.92
13	A"	1193	1180	97.51
14	A"	586	580	0.88
15	A"	442	437	1.31
16	A"	324	320	0.01
17	A"	204	202	2.37
18	A"	48	47	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.088	-0.632	0.000
C2	-0.622	0.730	0.000
Cl3	1.835	-0.434	0.000
F4	-0.294	-1.305	1.081
F5	-0.294	-1.305	-1.081
F6	-1.934	0.524	0.000
F7	-0.294	1.421	1.081
F8	-0.294	1.421	-1.081

	C1	C2	Cl3	F4	F5	F6	F7	F8
C1		1.5354	1.7585	1.3295	1.3295	2.3283	2.3514	2.3514
C2	1.5354		2.7180	2.3275	2.3275	1.3278	1.3245	1.3245
Cl3	1.7585	2.7180		2.5418	2.5418	3.8881	3.0232	3.0232
F4	1.3295	2.3275	2.5418		2.1623	2.6837	2.7260	3.4796
F5	1.3295	2.3275	2.5418	2.1623		2.6837	3.4796	2.7260
F6	2.3283	1.3278	3.8881	2.6837	2.6837		2.1591	2.1591
F7	2.3514	1.3245	3.0232	2.7260	3.4796	2.1591		2.1627
F8	2.3514	1.3245	3.0232	3.4796	2.7260	2.1591	2.1627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.596	C1	C2	F7	110.391
C1	C2	F8	110.391	C2	C1	Cl3	111.030
C2	C1	F4	108.449	C2	C1	F5	108.449
Cl3	C1	F4	110.020	Cl3	C1	F5	110.020
F4	C1	F5	108.818	F6	C2	F7	108.985
F6	C2	F8	108.985	F7	C2	F8	109.458

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)

using model chemistry: SVWN/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.123
2	C	0.477
3	Cl	0.037
4	F	-0.122
5	F	-0.122
6	F	-0.137
7	F	-0.128
8	F	-0.128

	x	y	z	Total
	0.188	0.044	0.000	0.193
CHELPG
AIM
ESP

	x	y	z
x	6.488	0.096	0.000
y	0.096	4.250	0.000
z	0.000	0.000	4.192

<r²>	247.270
(<r²>)^1/2	15.725

All results from a given calculation for CF3CF2Cl (pentafluorochloroethane)

using model chemistry: SVWN/6-311G**

States and conformations

All results from a given calculation for CF₃CF₂Cl (pentafluorochloroethane)